Grundinformationen
- Standard-SMILES
CC(C)OC(=O)CN1C(=O)c2ccccc2S1(=O)=O- InChIKey
FULJHFVTOIYTGS-UHFFFAOYSA-N- Summenformel
- C12H13NO5S
- Durchschnittliche Molmasse
- 283,3 g/mol
- Monoisotopische Masse
- 283,05144352
Namen und Bezeichner
- Bevorzugter Name
- 1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, 1-methylethyl ester, 1,1-dioxide
- IUPAC
- propan-2-yl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate
- Englischer Name
- Saccharin N-(2-Acetic Acid Isopropyl Ester) (Piroxicam Impurity F)
- Summenformel
- C12H13NO5S
- Molmasse
- 283.3
Namen und Synonyme
76508-37-7Saccharin N-(2-acetic acid isopropyl ester)1-Methylethyl (1,1-Dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetateTD39BF075K1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, 1-methylethyl ester, 1,1-dioxideDTXSID00227316RefChem:1052159DTXCID00149807Piroxicam EP impurity FSaccharin N-(2-Acetic Acid Isopropyl Ester)(Piroxicam Impurity F)Piroxicam impurity F [EP]UNII-TD39BF075K
Weitere Namen anzeigen
BL-Impurity FIn1124 Impurity 4Piroxicam EP IMP F1-Methylethyl (1,1-Dioxido-3-oxo-1,Saccharin N-(2-Acetic Acid Isopropyl Ester) (Piroxicam Impurity F)Imp. F (EP): 1-Methylethyl(1,1-Dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetate
propan-2-yl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetateIsopropyl 2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetatePiroxicam Impurity F1-Methylethyl (1,1-Dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetate; Piroxicam Imp. F (EP); Piroxicam Impurity F3-Oxo-1,2-benzisothiazole-2(3H)-acetic Acid 1-Methylethyl Ester 1,1-DioxideOprea1_022565SCHEMBL10563334FULJHFVTOIYTGS-UHFFFAOYSA-N
Datenbank-Bezeichner
- CAS
76508-37-7- PubChem CID
- 4519624
- DTXSID
DTXSID00227316- UNII
- TD39BF075K
- EC Number
- 641-749-9
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 89,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 479
Physikochemische Eigenschaften
- Schmelzpunkt
- 119 · 119-121℃ (isopropanol )
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Chemie und Industrie
Anwendungen
VerwendenPiroxicam impurity F.
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